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3KUM
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BU of 3kum by Molmil
Crystal structure of Dipeptide Epimerase from Enterococcus faecalis V583 complexed with Mg and dipeptide L-Arg-L-Tyr
分子名称: ARGININE, Dipeptide Epimerase, MAGNESIUM ION, ...
著者Fedorov, A.A, Fedorov, E.V, Sakai, A, Gerlt, J.A, Almo, S.C.
登録日2009-11-27
公開日2010-10-13
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Homology models guide discovery of diverse enzyme specificities among dipeptide epimerases in the enolase superfamily.
Proc.Natl.Acad.Sci.USA, 109, 2012
2WOI
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BU of 2woi by Molmil
Trypanothione reductase from Trypanosoma brucei
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, SODIUM ION, ...
著者Alphey, M.S, Fairlamb, A.H.
登録日2009-07-24
公開日2010-08-04
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
J.Med.Chem., 54, 2011
6GRL
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BU of 6grl by Molmil
Structure of imine reductase (apo form) at 1.6 A resolution from Saccharomonospora xinjiangensis
分子名称: Beta-hydroxyacid dehydrogenase, 3-hydroxyisobutyrate dehydrogenase
著者Hasan, M, Gand, M, Logan, D.T, Hoehne, M.
登録日2018-06-11
公開日2019-06-19
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of imine reductase (apo form) at 1.6 A resolution from Saccharomonospora xinjiangensis
To Be Published
5ZJF
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BU of 5zjf by Molmil
LDHA-MA
分子名称: 5,5'-[(2R,3S)-2,3-dimethylbutane-1,4-diyl]bis(2H-1,3-benzodioxole), L-lactate dehydrogenase A chain
著者Han, C.W, Jang, S.B.
登録日2018-03-20
公開日2019-07-24
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.602 Å)
主引用文献Machilin A Inhibits Tumor Growth and Macrophage M2 Polarization Through the Reduction of Lactic Acid.
Cancers (Basel), 11, 2019
6H3B
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BU of 6h3b by Molmil
Lysozyme: Machining protein microcrystals for structure determination by electron diffraction
分子名称: CHLORIDE ION, Lysozyme C
著者Duyvesteyn, H.M.E, Ginn, H.M, Stuart, D.I.
登録日2018-07-18
公開日2018-09-12
最終更新日2022-03-30
実験手法ELECTRON CRYSTALLOGRAPHY (1.9 Å)
主引用文献Machining protein microcrystals for structure determination by electron diffraction.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
6C49
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BU of 6c49 by Molmil
Crystal Structure of Alcohol Dehydrogenase from Acinetobacter baumannii
分子名称: 1,2-ETHANEDIOL, Alcohol dehydrogenase, DI(HYDROXYETHYL)ETHER, ...
著者Seattle Structural Genomics Center for Infectious Disease (SSGCID)
登録日2018-01-11
公開日2018-01-24
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Crystal Structure of Alcohol Dehydrogenase from Acinetobacter baumannii
To be Published
5ZKZ
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BU of 5zkz by Molmil
Crystal Structures of Mutant Endo-beta-1,4-xylanase II(Y77F) Complexed with Xylotriose
分子名称: Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION, ...
著者Zhang, X, Wan, Q.
登録日2018-03-26
公開日2019-04-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.3 Å)
主引用文献Crystal Structures of Endo-beta-1,4-xylanase II
to be published
7Y51
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BU of 7y51 by Molmil
Acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis TTE0866 delta100 mutant
分子名称: GLYCEROL, NICKEL (II) ION, Predicted xylanase/chitin deacetylase
著者Sasamoto, K, Himiyama, T, Moriyoshi, K, Ohmoto, T, Uegaki, K, Nakamura, T, Nishiya, Y.
登録日2022-06-16
公開日2022-08-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Functional analysis of the N-terminal region of acetylxylan esterase from Caldanaerobacter subterraneus subsp. tengcongensis.
Febs Open Bio, 12, 2022
4PEM
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BU of 4pem by Molmil
Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophila
分子名称: CALCIUM ION, Penicillin G acylase Alpha, Penicillin G acylase Beta
著者Ramasamy, S, Varshney, N.K, Brannigan, J.A, Wilkinson, A.J, Suresh, C.G.
登録日2014-04-24
公開日2015-07-22
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Crystal Structure of S1G mutant of Penicillin G Acylase from Kluyvera citrophilla
To be Published
3GXD
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BU of 3gxd by Molmil
Crystal structure of Apo acid-beta-glucosidase pH 4.5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Glucosylceramidase, PHOSPHATE ION
著者Lieberman, R.L.
登録日2009-04-02
公開日2009-05-05
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Effects of pH and iminosugar pharmacological chaperones on lysosomal glycosidase structure and stability.
Biochemistry, 48, 2009
5ZNS
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BU of 5zns by Molmil
Insect chitin deacetylase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ZINC ION, ...
著者Liu, L, Zhou, Y, Yang, Q.
登録日2018-04-10
公開日2019-02-20
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.396 Å)
主引用文献Structural and biochemical insights into the catalytic mechanisms of two insect chitin deacetylases of the carbohydrate esterase 4 family.
J. Biol. Chem., 294, 2019
4PEW
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BU of 4pew by Molmil
Structure of sacteLam55A from Streptomyces sp. SirexAA-E
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, Putative secreted protein
著者Bianchetti, C.M, Takasuka, T.E, Bergeman, L.F, Fox, B.G.
登録日2014-04-25
公開日2015-03-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Active site and laminarin binding in glycoside hydrolase family 55.
J.Biol.Chem., 290, 2015
6C7K
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BU of 6c7k by Molmil
Crystal structure of an ACO/RPE65 chimera
分子名称: Apocarotenoid-15,15'-oxygenase, CHLORIDE ION, FE (II) ION
著者Kiser, P.D, Shi, W.
登録日2018-01-22
公開日2018-04-25
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Insights into the pathogenesis of dominant retinitis pigmentosa associated with a D477G mutation in RPE65.
Hum.Mol.Genet., 27, 2018
2WJ4
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BU of 2wj4 by Molmil
CRYSTAL STRUCTURE OF THE COFACTOR-DEVOID 1-H-3-HYDROXY-4- OXOQUINALDINE 2,4-DIOXYGENASE (HOD) FROM ARTHROBACTER NITROGUAJACOLICUS RU61A ANAEROBICALLY COMPLEXED WITH ITS NATURAL SUBSTRATE 1-H-3-HYDROXY-4-OXOQUINALDINE
分子名称: 1H-3-HYDROXY-4-OXOQUINALDINE 2,4-DIOXYGENASE, 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE, GLYCEROL, ...
著者Steiner, R.A.
登録日2009-05-20
公開日2010-01-26
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural Basis for Cofactor-Independent Dioxygenation of N-Heteroaromatic Compounds at the {Alpha}/{Beta}-Hydrolase Fold.
Proc.Natl.Acad.Sci.USA, 107, 2010
5ZOF
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BU of 5zof by Molmil
Crystal Structure of D181A/R192F hFen1 in complex with DNA
分子名称: DNA (5'-D(*AP*CP*TP*TP*TP*GP*AP*GP*GP*CP*AP*GP*AP*G)-3'), DNA (5'-D(*CP*CP*TP*CP*TP*GP*CP*CP*TP*CP*AP*AP*GP*AP*CP*GP*GP*G)-3'), DNA (5'-D(*GP*CP*CP*CP*GP*TP*CP*C)-3'), ...
著者Han, W, Hua, Y, Zhao, Y.
登録日2018-04-13
公開日2019-01-30
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.249 Å)
主引用文献Structural basis of 5' flap recognition and protein-protein interactions of human flap endonuclease 1.
Nucleic Acids Res., 46, 2018
2JBV
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BU of 2jbv by Molmil
Crystal structure of choline oxidase reveals insights into the catalytic mechanism
分子名称: CHOLINE OXIDASE, DIMETHYL SULFOXIDE, UNKNOWN ATOM OR ION, ...
著者Lountos, G.T, Fan, F, Gadda, G, Orville, A.M.
登録日2006-12-13
公開日2007-12-25
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Role of Glu312 in Binding and Positioning of the Substrate for the Hydride Transfer Reaction in Choline Oxidase.
Biochemistry, 47, 2008
2JIF
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BU of 2jif by Molmil
Structure of human short-branched chain acyl-CoA dehydrogenase (ACADSB)
分子名称: 1,2-ETHANEDIOL, CHLORIDE ION, COENZYME A PERSULFIDE, ...
著者Pike, A.C.W, Hozjan, V, Smee, C, Niesen, F.H, Kavanagh, K.L, Umeano, C, Turnbull, A.P, von Delft, F, Weigelt, J, Edwards, A, Arrowsmith, C.H, Sundstrom, M, Oppermann, U.
登録日2007-02-28
公開日2007-04-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal Structure of Human Short-Branched Chain Acyl-Coa Dehydrogenase
To be Published
6GUR
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BU of 6gur by Molmil
Siderophore hydrolase EstB from Aspergillus fumigatus in complex with TAFC
分子名称: (~{Z})-5-[(1~{S},2~{S})-2-acetamido-1-oxidanyl-5-[oxidanyl(propanoyl)amino]pentoxy]-~{N},3-dimethyl-~{N}-oxidanyl-pent-2-enamide, CARBONATE ION, FE (III) ION, ...
著者Ecker, F, Haas, H, Groll, M, Huber, E.M.
登録日2018-06-19
公開日2018-08-15
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Iron Scavenging in Aspergillus Species: Structural and Biochemical Insights into Fungal Siderophore Esterases.
Angew. Chem. Int. Ed. Engl., 57, 2018
4NMM
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BU of 4nmm by Molmil
Crystal Structure of a G12C Oncogenic Variant of Human KRas Bound to a Novel GDP Competitive Covalent Inhibitor
分子名称: 5'-O-[(S)-{[(S)-[2-(acetylamino)ethoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]guanosine, GTPase KRas, MAGNESIUM ION
著者Hunter, J.C, Gurbani, D, Lim, S.M, Westover, K.D.
登録日2013-11-15
公開日2014-06-04
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献In situ selectivity profiling and crystal structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C.
Proc.Natl.Acad.Sci.USA, 111, 2014
4NDH
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BU of 4ndh by Molmil
Human Aprataxin (Aptx) bound to DNA, AMP, and Zn - product complex
分子名称: 5'-D(P*GP*TP*TP*CP*TP*AP*GP*AP*AP*C)-3', ADENOSINE MONOPHOSPHATE, Aprataxin, ...
著者Schellenberg, M.J, Tumbale, P.S, Williams, R.S.
登録日2013-10-26
公開日2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.848 Å)
主引用文献Aprataxin resolves adenylated RNA-DNA junctions to maintain genome integrity.
Nature, 506, 2013
2H1S
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BU of 2h1s by Molmil
Crystal Structure of a Glyoxylate/Hydroxypyruvate reductase from Homo sapiens
分子名称: Glyoxylate reductase/hydroxypyruvate reductase
著者Bitto, E, Wesenberg, G.E, Phillips Jr, G.N, Bingman, C.A, Center for Eukaryotic Structural Genomics (CESG)
登録日2006-05-16
公開日2006-06-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal Structure of a Glyoxylate/Hydroxypyruvate reductase from Homo sapiens
To be Published
4PLV
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BU of 4plv by Molmil
Crystal structure of ancestral apicomplexan malate dehydrogenase with lactate.
分子名称: (2S)-2-HYDROXYPROPANOIC ACID, 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, malate dehydrogenase
著者Boucher, J.I, Jacobowitz, J.R, Beckett, B.C, Classen, S, Theobald, D.L.
登録日2014-05-19
公開日2014-07-02
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献An atomic-resolution view of neofunctionalization in the evolution of apicomplexan lactate dehydrogenases.
Elife, 3, 2014
3G7M
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BU of 3g7m by Molmil
Structure of the thaumatin-like xylanase inhibitor TLXI
分子名称: GLYCEROL, SODIUM ION, Xylanase inhibitor TL-XI
著者Vandermarliere, E, Courtin, C.M, Lammens, W, Schoepe, J, Strelkov, S.V.
登録日2009-02-10
公開日2010-03-16
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.91 Å)
主引用文献Crystal structure of the noncompetitive xylanase inhibitor TLXI, member of the small thaumatin-like protein family.
Proteins, 78, 2010
5W58
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BU of 5w58 by Molmil
Crystal Complex of Cyclooxygenase-2: (S)-ARN-2508 (a dual COX and FAAH inhibitor)
分子名称: (2S)-2-{2-fluoro-3'-[(hexylcarbamoyl)oxy][1,1'-biphenyl]-4-yl}propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Xu, S, Goodman, M.C, Banerjee, S, Piomelli, D, Marnett, L.J.
登録日2017-06-14
公開日2018-01-31
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.267 Å)
主引用文献Dual cyclooxygenase-fatty acid amide hydrolase inhibitor exploits novel binding interactions in the cyclooxygenase active site.
J. Biol. Chem., 293, 2018
6BS6
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BU of 6bs6 by Molmil
SusG with mixed linkage amylosaccharide
分子名称: ACETATE ION, Alpha-amylase SusG, CALCIUM ION, ...
著者Koropatkin, N.M, Cockburn, D.W.
登録日2017-12-01
公開日2018-01-24
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Structural basis for the flexible recognition of alpha-glucan substrates by Bacteroides thetaiotaomicron SusG.
Protein Sci., 27, 2018

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